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1-[4-(3-chloranyl-4-morpholin-4-yl-phenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID Iji4zJmvcRK
InChI InChI=1S/C28H29ClN4O4/c1-19(34)27-30-33(21-7-5-4-6-8-21)28(20-9-12-25(35-2)26(17-20)36-3)32(27)22-10-11-24(23(29)18-22)31-13-15-37-16-14-31/h4-12,17-18,28H,13-16H2,1-3H3
InChIKey OQVCPGZPOZZKEL-UHFFFAOYSA-N
Mol Weight 521.02 g/mol
Molecular Formula C28H29ClN4O4
Exact Mass 520.187733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcCmWlZEN4q
Name 1-[4-(3-chloranyl-4-morpholin-4-yl-phenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29ClN4O4
InChI InChI=1S/C28H29ClN4O4/c1-19(34)27-30-33(21-7-5-4-6-8-21)28(20-9-12-25(35-2)26(17-20)36-3)32(27)22-10-11-24(23(29)18-22)31-13-15-37-16-14-31/h4-12,17-18,28H,13-16H2,1-3H3
InChIKey OQVCPGZPOZZKEL-UHFFFAOYSA-N
Molecular Weight 521.017 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2cc(Cl)c(cc2)N2CCOCC2)c2cc(OC)c(cc2)OC)cc1
SPLASH splash10-00el-6968060000-3b9ea98a1c6216690cfd
Synonyms 1-[4-(3-chloro-4-morpholin-4-ylphenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[4-(3-chloro-4-morpholino-phenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[4-[3-chloro-4-(4-morpholinyl)phenyl]-3-(3,4-dimethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[4-[3-chloro-4-(4-morpholinyl)phenyl]-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Wiley ID 1437392